2-[(3-aminophenyl)methyl]-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one

C19H21N3O3 — CID 18623335

IUPAC2-[(3-aminophenyl)methyl]-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(C2=NN(Cc3cccc(N)c3)C(=O)CC2)cc1OC
InChIInChI=1S/C19H21N3O3/c1-24-17-8-6-14(11-18(17)25-2)16-7-9-19(23)22(21-16)12-13-4-3-5-15(20)10-13/h3-6,8,10-11H,7,9,12,20H2,1-2H3
InChIKeyHMZVEJHYLSVILI-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.81
Rot. Bonds5

About 2-[(3-aminophenyl)methyl]-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one

2-[(3-aminophenyl)methyl]-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one (PubChem CID 18623335) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl]-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl]-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one
PubChem CID18623335
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-[(3-aminophenyl)methyl]-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(C2=NN(Cc3cccc(N)c3)C(=O)CC2)cc1OC
InChIInChI=1S/C19H21N3O3/c1-24-17-8-6-14(11-18(17)25-2)16-7-9-19(23)22(21-16)12-13-4-3-5-15(20)10-13/h3-6,8,10-11H,7,9,12,20H2,1-2H3
InChIKeyHMZVEJHYLSVILI-UHFFFAOYSA-N
XLogP2.81
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]methanesulfonamide
CID 18623473
N-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
CID 18623542
1-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 43563822
6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(3-nitrophenyl)methyl]-4,5-dihydropyridazin-3-one
CID 18623400
N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]propanamide
CID 18623390
N-[4-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]propanamide
CID 18623336
2-[1-[4-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]piperidin-2-yl]acetamide
CID 174461773
ethyl N-[4-[[3-(4-methoxy-3-propan-2-yloxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-N-thiomorpholin-4-ylcarbamate
CID 174461782
2-[[3-(bromomethyl)phenyl]methyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 68923703
3-[(3-aminophenyl)methyl]-5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-one;ethane
CID 143461941
(3-aminophenyl)-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]methanone
CID 89369072
N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
CID 18623569

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl]-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-[(3-aminophenyl)methyl]-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one (CID 18623335) is 2-[(3-aminophenyl)methyl]-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[(3-aminophenyl)methyl]-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[(3-aminophenyl)methyl]-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one is COc1ccc(C2=NN(Cc3cccc(N)c3)C(=O)CC2)cc1OC.
What is the InChIKey of 2-[(3-aminophenyl)methyl]-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one?
The InChIKey is HMZVEJHYLSVILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-24-17-8-6-14(11-18(17)25-2)16-7-9-19(23)22(21-16)12-13-4-3-5-15(20)10-13/h3-6,8,10-11H,7,9,12,20H2,1-2H3.
What are the key properties of 2-[(3-aminophenyl)methyl]-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one?
2-[(3-aminophenyl)methyl]-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one has a molecular weight of 339.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl]-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 18623335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).